(Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine

C18H17NOS — CID 71178672

IUPAC(Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine
SMILESCNC/C=C(\Oc1cccc2ccccc12)c1ccsc1
InChIInChI=1S/C18H17NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,12-13,19H,11H2,1H3/b17-9-
InChIKeyFSZHSEKVLPBSBN-MFOYZWKCSA-N
MW295.41 g/mol
LogP4.54
Rot. Bonds5

About (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine

(Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine (PubChem CID 71178672) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine
PubChem CID71178672
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name(Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine
SMILESCNC/C=C(\Oc1cccc2ccccc12)c1ccsc1
InChIInChI=1S/C18H17NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,12-13,19H,11H2,1H3/b17-9-
InChIKeyFSZHSEKVLPBSBN-MFOYZWKCSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-naphthalen-1-yloxy-3-phenylprop-2-enenitrile
CID 66559661
naphthalen-1-yl N-methylcarbamate
CID 23447097
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl 2-amino-2-methylpropanoate
CID 70178534
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
(E)-3-naphthalen-1-yloxy-3-thiophen-2-ylprop-2-enal
CID 88858208
O-naphthalen-1-yl methylsulfanylmethanethioate
CID 58882717
dinaphthalen-1-yloxymethanethione
CID 22635249
2-hydroxy-3-naphthalen-1-yloxy-3-oxopropanoic acid;thiophene
CID 175271323
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine (CID 71178672) is (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine is CNC/C=C(\Oc1cccc2ccccc12)c1ccsc1.
What is the InChIKey of (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine?
The InChIKey is FSZHSEKVLPBSBN-MFOYZWKCSA-N. The full InChI is InChI=1S/C18H17NOS/c1-19-11-9-17(15-10-12-21-13-15)20-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,12-13,19H,11H2,1H3/b17-9-.
What are the key properties of (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine?
(Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine has a molecular weight of 295.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-3-ylprop-2-en-1-amine is sourced from PubChem (CID 71178672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).